cadmium(2+);bis(1,3-difluorobenzene-2-ide)

C12H6CdF4 — CID 177497167

IUPACcadmium(2+);bis(1,3-difluorobenzene-2-ide)
SMILESFc1[c-]c(F)ccc1.Fc1[c-]c(F)ccc1.[Cd+2]
InChIInChI=1S/2C6H3F2.Cd/c2*7-5-2-1-3-6(8)4-5;/h2*1-3H;/q2*-1;+2
InChIKeyHXYCKYLUSJDMEP-UHFFFAOYSA-N
MW338.58 g/mol
LogP3.53
Rot. Bonds

About cadmium(2+);bis(1,3-difluorobenzene-2-ide)

cadmium(2+);bis(1,3-difluorobenzene-2-ide) (PubChem CID 177497167) has the molecular formula C12H6CdF4 and a molecular weight of 338.58 g/mol. Its IUPAC name is cadmium(2+);bis(1,3-difluorobenzene-2-ide).

Molecular Properties

Compound Namecadmium(2+);bis(1,3-difluorobenzene-2-ide)
PubChem CID177497167
Molecular FormulaC12H6CdF4
Molecular Weight338.58 g/mol
Exact Mass339.94
IUPAC Namecadmium(2+);bis(1,3-difluorobenzene-2-ide)
SMILESFc1[c-]c(F)ccc1.Fc1[c-]c(F)ccc1.[Cd+2]
InChIInChI=1S/2C6H3F2.Cd/c2*7-5-2-1-3-6(8)4-5;/h2*1-3H;/q2*-1;+2
InChIKeyHXYCKYLUSJDMEP-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-difluorobenzene-2-ide;yttrium
CID 58618905
1,3-difluorobenzene-2-ide;manganese
CID 135025289
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,2,3-trifluorobenzene
CID 15147
bis(cyclopenta-1,3-diene);bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium
CID 162422578
sodium 1,3-dichlorobenzene-2-ide
CID 155929884
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
CID 174739801
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
1-chloro-2,3-difluorobenzene
CID 157449386
1-chloro-8-fluorotriphenylene
CID 149499573
2,6-difluoro-N-propylaniline
CID 21161523
1-bromo-3-fluorobenzene;sulfane
CID 174932611

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(1,3-difluorobenzene-2-ide)?
The IUPAC name of cadmium(2+);bis(1,3-difluorobenzene-2-ide) (CID 177497167) is cadmium(2+);bis(1,3-difluorobenzene-2-ide).
What is the SMILES notation for cadmium(2+);bis(1,3-difluorobenzene-2-ide)?
The canonical SMILES for cadmium(2+);bis(1,3-difluorobenzene-2-ide) is Fc1[c-]c(F)ccc1.Fc1[c-]c(F)ccc1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(1,3-difluorobenzene-2-ide)?
The InChIKey is HXYCKYLUSJDMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H3F2.Cd/c2*7-5-2-1-3-6(8)4-5;/h2*1-3H;/q2*-1;+2.
What are the key properties of cadmium(2+);bis(1,3-difluorobenzene-2-ide)?
cadmium(2+);bis(1,3-difluorobenzene-2-ide) has a molecular weight of 338.58 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(1,3-difluorobenzene-2-ide) is sourced from PubChem (CID 177497167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).